#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2yqg n SER 2 N 0.00 -1.75 -4.50 1.61 3.41 -1.26 -4.97 113.62 106.16 2yqg n SER 2 Ca 0.00 0.85 -0.24 0.00 -0.26 0.00 0.00 58.87 59.22 2yqg n SER 2 Cb 0.00 -0.80 -0.10 0.00 -0.26 0.00 0.00 64.21 63.05 2yqg n SER 2 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2yqg s SER 3 N -0.87 3.38 0.00 4.04 1.04 -1.26 -5.15 113.70 114.88 2yqg s SER 3 Ca 0.54 -1.20 0.00 0.00 0.48 0.00 0.00 55.95 55.77 2yqg s SER 3 Cb -0.69 -0.28 0.00 0.00 0.10 0.00 0.00 66.02 65.15 2yqg s SER 3 CO 0.52 -0.26 0.00 0.61 0.98 0.00 0.00 173.24 175.09 2yqg n GLY 4 N -0.72 5.53 3.92 7.32 0.00 -1.26 -5.17 105.19 114.81 2yqg n GLY 4 Ca -0.05 -1.10 -0.23 0.00 0.00 0.00 0.00 46.02 44.64 2yqg n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2yqg s SER 5 N 1.00 6.09 0.31 1.61 0.01 -1.26 -5.08 113.70 116.37 2yqg s SER 5 Ca 0.00 0.01 -0.29 0.00 1.31 0.00 0.00 55.95 56.98 2yqg s SER 5 Cb 0.00 -1.74 -0.10 0.00 0.21 0.00 0.00 66.02 64.39 2yqg s SER 5 CO 0.00 -0.02 1.20 -0.94 0.41 0.00 0.00 173.24 173.89 2yqg s SER 6 N -3.71 7.02 -0.06 2.44 1.04 -1.26 -5.03 113.70 114.14 2yqg s SER 6 Ca 0.34 2.48 -0.04 0.00 0.48 0.00 0.00 55.95 59.20 2yqg s SER 6 Cb -0.09 -2.64 -0.04 0.00 0.10 0.00 0.00 66.02 63.35 2yqg s SER 6 CO 0.28 -0.34 0.15 -0.83 0.98 0.00 0.00 173.24 173.47 2yqg s GLY 7 N -0.68 2.14 0.42 7.32 0.00 -1.26 -4.99 107.32 110.27 2yqg s GLY 7 Ca 0.47 -0.72 0.08 0.00 0.00 0.00 0.00 44.72 44.55 2yqg s GLY 7 CO 0.47 -0.53 2.05 0.06 0.00 0.00 0.00 173.10 175.15 2yqg h GLN 8 N 4.44 0.50 -6.66 2.90 3.07 -1.99 -3.42 115.11 113.95 2yqg h GLN 8 Ca -0.52 -0.03 -0.51 0.00 0.09 0.00 0.00 58.65 57.68 2yqg h GLN 8 Cb 1.21 -0.11 0.00 0.00 0.08 0.00 0.00 27.48 28.65 2yqg h GLN 8 CO 0.63 0.33 0.45 0.15 0.09 0.00 0.00 178.83 180.48 2yqg s LYS 9 N -5.46 4.63 -1.07 0.06 1.02 -1.26 -4.96 119.74 112.69 2yqg s LYS 9 Ca -0.08 1.67 -0.21 0.00 0.02 0.00 0.00 55.97 57.37 2yqg s LYS 9 Cb 0.18 -3.28 0.07 0.00 -0.52 0.00 0.00 37.83 34.28 2yqg s LYS 9 CO 0.73 0.13 1.46 0.50 -0.92 0.00 0.00 175.35 177.25 2yqg s ARG 10 N -0.45 3.70 0.11 1.68 3.52 -1.26 -4.89 118.95 121.37 2yqg s ARG 10 Ca 0.48 -1.48 -0.26 0.00 -0.13 0.00 0.00 55.73 54.34 2yqg s ARG 10 Cb -0.29 -5.31 0.08 0.00 -1.56 0.00 0.00 34.95 27.87 2yqg s ARG 10 CO 0.34 -2.13 1.07 0.00 -0.81 0.00 0.00 175.30 173.77 2yqg s ALA 11 N 4.29 -1.82 1.22 6.12 0.00 -1.26 -4.98 121.76 125.33 2yqg s ALA 11 Ca 0.45 0.22 -0.15 0.00 0.00 0.00 0.00 51.96 52.49 2yqg s ALA 11 Cb -0.00 0.58 0.30 0.00 0.00 0.00 0.00 23.12 24.01 2yqg s ALA 11 CO -0.06 -1.05 1.01 1.67 0.00 0.00 0.00 175.76 177.33 2yqg s TRP 12 N -2.89 1.01 -0.09 0.00 -2.14 -1.26 -4.98 118.94 108.59 2yqg s TRP 12 Ca 0.14 1.02 -0.02 0.00 2.66 0.00 0.00 56.10 59.90 2yqg s TRP 12 Cb 0.00 -3.07 -0.03 0.00 -3.10 0.00 0.00 33.47 27.27 2yqg s TRP 12 CO 0.01 -4.08 -0.02 0.96 -2.66 0.00 0.00 176.95 171.16 2yqg s ILE 13 N -2.46 4.15 0.03 0.66 -4.36 -1.26 -5.10 121.20 112.86 2yqg s ILE 13 Ca 0.68 -0.30 -0.07 0.00 -0.26 0.00 0.00 60.65 60.70 2yqg s ILE 13 Cb -0.22 -2.75 -0.00 0.00 1.25 0.00 0.00 42.46 40.74 2yqg s ILE 13 CO 0.63 0.59 0.13 0.42 0.24 0.00 0.00 174.94 176.95 2yqg s THR 14 N -0.71 0.11 0.31 8.37 -4.23 -1.26 -5.11 115.64 113.13 2yqg s THR 14 Ca 0.11 -0.92 0.10 0.00 -1.18 0.00 0.00 61.69 59.80 2yqg s THR 14 Cb -0.12 -0.75 -0.05 0.00 1.34 0.00 0.00 72.50 72.93 2yqg s THR 14 CO 0.02 -0.51 -0.03 0.00 -0.54 0.00 0.00 174.62 173.57 2yqg s ALA 15 N -2.20 3.12 0.38 3.99 0.00 -1.26 -5.12 121.76 120.67 2yqg s ALA 15 Ca -0.08 -1.89 -0.26 0.00 0.00 0.00 0.00 51.96 49.73 2yqg s ALA 15 Cb -0.03 -0.43 -0.09 0.00 0.00 0.00 0.00 23.12 22.57 2yqg s ALA 15 CO -0.02 0.14 1.20 -1.25 0.00 0.00 0.00 175.76 175.83 2yqg s PRO 16 N -3.67 4.12 -0.39 0.00 0.04 -1.26 -4.96 135.00 128.88 2yqg s PRO 16 Ca 0.33 1.92 -0.09 0.00 0.04 0.00 0.00 61.00 63.20 2yqg s PRO 16 Cb -0.02 -2.77 0.05 0.00 0.04 0.00 0.00 34.50 31.81 2yqg s PRO 16 CO 0.19 -0.29 0.21 0.08 0.04 0.00 0.00 177.00 177.22 2yqg s VAL 17 N -1.34 4.23 -0.74 -0.36 1.01 -1.21 -5.03 120.40 116.95 2yqg s VAL 17 Ca 0.55 -1.16 -0.08 0.00 0.00 0.00 0.00 61.98 61.29 2yqg s VAL 17 Cb -0.33 -3.47 0.19 0.00 0.00 0.00 0.00 36.38 32.77 2yqg s VAL 17 CO 0.42 -0.34 0.62 0.00 0.00 0.00 0.00 175.10 175.80 2yqg s ALA 18 N 1.46 3.87 0.41 5.51 0.00 -1.26 -1.53 121.76 130.22 2yqg s ALA 18 Ca 0.02 -3.35 -0.12 0.00 0.00 0.00 0.00 51.96 48.51 2yqg s ALA 18 Cb -0.21 -3.08 -0.07 0.00 0.00 0.00 0.00 23.12 19.77 2yqg s ALA 18 CO 0.04 -2.19 0.79 -0.51 0.00 0.00 0.00 175.76 173.88 2yqg s LEU 19 N -0.09 3.84 0.27 0.00 1.43 -0.47 -4.83 118.68 118.83 2yqg s LEU 19 Ca 0.18 1.20 0.07 0.00 -1.03 0.00 0.00 54.13 54.56 2yqg s LEU 19 Cb -0.15 -4.08 -0.03 0.00 0.03 0.00 0.00 46.19 41.96 2yqg s LEU 19 CO -0.06 -0.40 0.22 -0.13 0.23 0.00 0.00 176.35 176.21 2yqg s ARG 20 N -3.76 2.86 -0.28 1.70 0.52 -1.26 -0.27 118.95 118.46 2yqg s ARG 20 Ca 0.52 -1.12 -0.12 0.00 -0.52 0.00 0.00 55.73 54.49 2yqg s ARG 20 Cb -0.10 -2.53 -0.05 0.00 0.52 0.00 0.00 34.95 32.79 2yqg s ARG 20 CO 0.30 0.32 0.24 -1.83 0.02 0.00 0.00 175.30 174.35 2yqg s GLU 21 N -3.88 3.96 0.00 3.54 -1.05 -0.54 -4.69 118.70 116.03 2yqg s GLU 21 Ca 0.35 -0.23 0.00 0.00 -0.15 0.00 0.00 54.97 54.94 2yqg s GLU 21 Cb -0.07 -3.66 0.00 0.00 -0.44 0.00 0.00 34.13 29.95 2yqg s GLU 21 CO 0.25 -0.21 0.00 0.41 0.95 0.00 0.00 175.26 176.66 2yqg n GLY 22 N 4.96 4.65 2.41 -3.83 0.00 -1.26 -4.03 105.19 108.09 2yqg n GLY 22 Ca -0.12 -0.79 -0.18 0.00 0.00 0.00 0.00 46.02 44.93 2yqg n GLY 22 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2yqg n GLU 23 N -1.25 -1.34 -1.85 1.61 1.02 -1.26 -2.74 120.64 114.83 2yqg n GLU 23 Ca 0.00 0.96 0.00 0.00 -0.02 0.00 0.00 57.16 58.10 2yqg n GLU 23 Cb 0.00 -5.35 0.00 0.00 -0.02 0.00 0.00 31.44 26.07 2yqg n GLU 23 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 2yqg n ASP 24 N -1.17 -0.61 -3.66 1.62 5.75 -1.26 -1.39 116.55 115.82 2yqg n ASP 24 Ca -0.20 0.31 -0.21 0.00 -0.01 0.00 0.00 54.79 54.68 2yqg n ASP 24 Cb 0.63 -0.75 -0.06 0.00 -1.03 0.00 0.00 41.12 39.90 2yqg n ASP 24 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 2yqg n LEU 25 N -1.81 -0.61 -0.00 -2.12 4.77 -1.11 -4.68 117.00 111.43 2yqg n LEU 25 Ca 0.00 -0.83 -0.13 0.00 -0.03 0.00 0.00 56.01 55.02 2yqg n LEU 25 Cb 0.31 -1.03 -0.10 0.00 -2.33 0.00 0.00 43.42 40.27 2yqg n LEU 25 CO 0.00 0.28 0.58 0.77 -1.33 0.00 0.00 177.39 177.69 2yqg h SER 26 N -0.79 -0.04 -0.17 -1.43 4.64 -1.55 -3.18 113.55 111.04 2yqg h SER 26 Ca -0.42 -0.52 -0.11 0.00 -0.47 0.00 0.00 61.79 60.27 2yqg h SER 26 Cb 0.91 0.01 -0.05 0.00 -0.31 0.00 0.00 62.40 62.96 2yqg h SER 26 CO 0.47 0.51 0.14 1.17 -0.87 0.00 0.00 176.83 178.25 2yqg n LYS 27 N -4.85 1.26 0.00 4.77 4.81 -1.26 -3.59 118.16 119.31 2yqg n LYS 27 Ca -0.09 -0.54 0.00 0.00 -0.87 0.00 0.00 58.31 56.81 2yqg n LYS 27 Cb 0.28 -1.21 0.00 0.00 0.02 0.00 0.00 35.03 34.12 2yqg n LYS 27 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 2yqg n LYS 28 N 0.83 0.00 -1.53 1.64 4.76 -1.20 -5.07 118.16 117.59 2yqg n LYS 28 Ca 0.11 0.00 -0.37 0.00 -2.87 0.00 0.00 58.31 55.18 2yqg n LYS 28 Cb 0.58 -0.86 0.07 0.00 -1.84 0.00 0.00 35.03 32.98 2yqg n LYS 28 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 2yqg n ASN 29 N -2.41 1.02 -4.77 4.39 3.02 -1.24 -4.45 115.26 110.82 2yqg n ASN 29 Ca 0.00 0.75 -0.32 0.00 -0.03 0.00 0.00 54.58 54.98 2yqg n ASN 29 Cb 0.42 -1.45 0.06 0.00 -0.61 0.00 0.00 39.78 38.21 2yqg n ASN 29 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 2yqg s PRO 30 N -3.20 2.59 -0.08 3.52 0.04 -1.26 -5.10 135.00 131.51 2yqg s PRO 30 Ca 0.77 1.30 0.01 0.00 0.04 0.00 0.00 61.00 63.12 2yqg s PRO 30 Cb -0.37 -1.93 -0.06 0.00 0.04 0.00 0.00 34.50 32.18 2yqg s PRO 30 CO 0.46 -1.40 -0.07 0.44 0.04 0.00 0.00 177.00 176.47 2yqg n ILE 31 N -2.84 0.47 -4.34 0.56 -5.35 -1.20 -5.04 119.36 101.61 2yqg n ILE 31 Ca 0.10 -0.19 -0.29 0.00 -0.27 0.00 0.00 62.75 62.10 2yqg n ILE 31 Cb 0.52 -0.80 -0.12 0.00 -1.74 0.00 0.00 39.64 37.51 2yqg n ILE 31 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2yqg s ALA 32 N -2.17 2.54 -0.15 -1.28 0.00 -1.26 -5.07 121.76 114.38 2yqg s ALA 32 Ca -0.11 -1.41 -0.18 0.00 0.00 0.00 0.00 51.96 50.26 2yqg s ALA 32 Cb 0.03 -0.52 0.05 0.00 0.00 0.00 0.00 23.12 22.67 2yqg s ALA 32 CO 0.20 0.57 0.48 -1.59 0.00 0.00 0.00 175.76 175.41 2yqg s LYS 33 N -2.12 0.63 -0.10 0.00 -2.85 -1.26 -3.75 119.74 110.29 2yqg s LYS 33 Ca 0.16 0.53 -0.10 0.00 -1.00 0.00 0.00 55.97 55.56 2yqg s LYS 33 Cb -0.10 0.30 0.03 0.00 -2.06 0.00 0.00 37.83 36.00 2yqg s LYS 33 CO 0.08 -0.11 0.28 0.96 0.10 0.00 0.00 175.35 176.66 2yqg s ILE 34 N -0.08 0.00 -0.23 3.79 -4.36 -1.26 -5.10 121.20 113.96 2yqg s ILE 34 Ca -0.03 -0.01 -0.03 0.00 -0.26 0.00 0.00 60.65 60.32 2yqg s ILE 34 Cb -0.03 -0.39 0.12 0.00 1.25 0.00 0.00 42.46 43.40 2yqg s ILE 34 CO 0.02 -0.00 0.35 -1.00 0.24 0.00 0.00 174.94 174.55 2yqg s HIS 35 N 0.13 -0.71 0.07 1.37 3.76 -1.26 -5.07 115.29 113.58 2yqg s HIS 35 Ca -0.00 0.79 -0.31 0.00 -0.15 0.00 0.00 55.06 55.39 2yqg s HIS 35 Cb -0.02 -0.03 -0.08 0.00 1.11 0.00 0.00 32.58 33.56 2yqg s HIS 35 CO 0.00 -0.67 1.68 0.45 -0.85 0.00 0.00 174.74 175.36 2yqg s SER 36 N 2.51 6.58 0.16 1.40 0.15 -1.26 -4.90 113.70 118.34 2yqg s SER 36 Ca 0.10 2.51 -0.28 0.00 0.70 0.00 0.00 55.95 58.98 2yqg s SER 36 Cb -0.15 -2.56 -0.01 0.00 -1.71 0.00 0.00 66.02 61.59 2yqg s SER 36 CO -0.15 -0.90 1.56 0.44 1.20 0.00 0.00 173.24 175.39 2yqg h ASP 37 N 8.47 -1.67 -0.87 5.45 3.32 -2.00 0.16 116.42 129.29 2yqg h ASP 37 Ca -0.43 0.26 0.22 0.00 0.02 0.00 0.00 57.03 57.10 2yqg h ASP 37 Cb 1.20 0.74 -0.13 0.00 0.22 0.00 0.00 39.33 41.36 2yqg h ASP 37 CO 0.93 -0.34 0.28 -0.07 -1.72 0.00 0.00 179.24 178.32 2yqg h LEU 38 N -0.24 0.10 -0.92 1.55 3.38 -1.96 0.70 115.31 117.93 2yqg h LEU 38 Ca 0.16 0.18 0.26 0.00 0.09 0.00 0.00 57.88 58.56 2yqg h LEU 38 Cb 0.56 0.22 -0.15 0.00 0.09 0.00 0.00 40.66 41.38 2yqg h LEU 38 CO -0.71 -0.10 0.31 0.00 0.09 0.00 0.00 178.44 178.03 2yqg h ALA 39 N 1.74 1.44 0.00 1.53 0.00 -0.95 0.23 119.26 123.25 2yqg h ALA 39 Ca 0.54 0.22 -0.05 0.00 0.00 0.00 0.00 54.91 55.62 2yqg h ALA 39 Cb 1.05 0.30 -0.01 0.00 0.00 0.00 0.00 17.79 19.13 2yqg h ALA 39 CO -0.60 -0.51 -0.99 0.39 0.00 0.00 0.00 179.25 177.54 2yqg n GLU 40 N -5.20 0.51 -0.32 0.00 1.02 0.58 -2.15 120.64 115.08 2yqg n GLU 40 Ca 0.24 0.33 0.03 0.00 -0.02 0.00 0.00 57.16 57.74 2yqg n GLU 40 Cb 0.77 -1.53 0.10 0.00 -0.02 0.00 0.00 31.44 30.76 2yqg n GLU 40 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 2yqg n GLU 41 N -4.49 -0.11 -0.06 3.49 -0.58 0.21 -3.10 120.64 116.00 2yqg n GLU 41 Ca -0.16 1.35 -0.05 0.00 -0.42 0.00 0.00 57.16 57.89 2yqg n GLU 41 Cb 0.48 -2.02 -0.02 0.00 -0.57 0.00 0.00 31.44 29.32 2yqg n GLU 41 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 2yqg n ARG 42 N -5.38 0.35 0.00 3.49 5.12 0.01 -5.03 116.66 115.22 2yqg n ARG 42 Ca 0.13 0.32 0.00 0.00 -1.93 0.00 0.00 57.85 56.36 2yqg n ARG 42 Cb 0.41 -1.31 0.00 0.00 -1.16 0.00 0.00 32.46 30.40 2yqg n ARG 42 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2yqg n GLY 43 N 1.57 0.57 3.97 -0.13 0.00 -0.87 -5.05 105.19 105.26 2yqg n GLY 43 Ca -0.07 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.74 2yqg n GLY 43 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2yqg s LEU 44 N 0.00 3.80 -0.45 0.99 1.02 -0.91 -5.00 118.68 118.13 2yqg s LEU 44 Ca 0.00 0.02 -0.10 0.00 0.02 0.00 0.00 54.13 54.08 2yqg s LEU 44 Cb 0.00 -2.94 0.10 0.00 0.02 0.00 0.00 46.19 43.37 2yqg s LEU 44 CO 0.00 -0.58 0.31 -0.54 0.02 0.00 0.00 176.35 175.56 2yqg s LYS 45 N -4.37 2.57 0.01 1.70 1.02 -1.26 -4.64 119.74 114.77 2yqg s LYS 45 Ca 0.47 -1.60 0.02 0.00 0.02 0.00 0.00 55.97 54.88 2yqg s LYS 45 Cb -0.10 -3.87 -0.04 0.00 -0.52 0.00 0.00 37.83 33.30 2yqg s LYS 45 CO 0.34 -1.08 -0.00 0.42 -0.92 0.00 0.00 175.35 174.11 2yqg s ILE 46 N 1.41 4.11 -0.11 2.17 1.09 -1.26 -3.40 121.20 125.20 2yqg s ILE 46 Ca 0.04 -0.65 -0.02 0.00 -1.10 0.00 0.00 60.65 58.92 2yqg s ILE 46 Cb -0.25 -2.84 -0.03 0.00 -1.06 0.00 0.00 42.46 38.28 2yqg s ILE 46 CO 0.01 0.35 -0.04 -0.89 -0.10 0.00 0.00 174.94 174.28 2yqg s THR 47 N -1.10 3.94 -0.22 2.92 2.01 -0.88 -4.98 115.64 117.33 2yqg s THR 47 Ca 0.20 -0.36 -0.13 0.00 0.31 0.00 0.00 61.69 61.71 2yqg s THR 47 Cb -0.11 -2.68 -0.04 0.00 0.01 0.00 0.00 72.50 69.67 2yqg s THR 47 CO 0.11 0.55 0.27 -0.31 -0.69 0.00 0.00 174.62 174.55 2yqg s TYR 48 N -0.25 3.35 -0.09 4.92 2.02 -1.26 -2.24 117.35 123.80 2yqg s TYR 48 Ca 0.04 0.42 0.03 0.00 -0.37 0.00 0.00 57.07 57.20 2yqg s TYR 48 Cb -0.13 -2.38 0.01 0.00 -0.40 0.00 0.00 41.96 39.06 2yqg s TYR 48 CO 0.02 0.05 -0.19 0.21 -1.57 0.00 0.00 175.55 174.08 2yqg s LYS 49 N 1.11 2.47 -0.40 -0.62 2.20 -0.99 -4.59 119.74 118.92 2yqg s LYS 49 Ca 0.13 -0.68 -0.02 0.00 -0.36 0.00 0.00 55.97 55.04 2yqg s LYS 49 Cb -0.14 -1.92 0.11 0.00 -1.51 0.00 0.00 37.83 34.36 2yqg s LYS 49 CO 0.06 0.10 0.18 0.71 -0.36 0.00 0.00 175.35 176.04 2yqg s TYR 50 N 0.51 3.60 -0.08 4.03 2.02 -1.26 -1.44 117.35 124.73 2yqg s TYR 50 Ca -0.16 -2.47 0.01 0.00 -0.37 0.00 0.00 57.07 54.07 2yqg s TYR 50 Cb -0.17 -3.15 -0.03 0.00 -0.40 0.00 0.00 41.96 38.22 2yqg s TYR 50 CO 0.06 -0.96 -0.10 0.95 -1.57 0.00 0.00 175.55 173.93 2yqg s THR 51 N 1.11 3.44 -5.00 -0.71 -4.23 -1.22 -4.87 115.64 104.16 2yqg s THR 51 Ca 0.08 -0.57 0.00 0.00 -1.18 0.00 0.00 61.69 60.02 2yqg s THR 51 Cb -0.22 -2.40 0.00 0.00 1.34 0.00 0.00 72.50 71.22 2yqg s THR 51 CO -0.05 0.58 0.00 0.61 -0.54 0.00 0.00 174.62 175.22 2yqg n GLY 52 N 2.50 -0.53 3.77 3.99 0.00 -1.26 -2.52 105.19 111.14 2yqg n GLY 52 Ca -0.18 -1.20 -0.40 0.00 0.00 0.00 0.00 46.02 44.24 2yqg n GLY 52 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2yqg s LYS 53 N -2.00 3.82 0.00 1.61 2.20 -1.23 -0.55 119.74 123.59 2yqg s LYS 53 Ca 0.00 2.36 0.00 0.00 -0.36 0.00 0.00 55.97 57.97 2yqg s LYS 53 Cb 0.00 -2.73 0.00 0.00 -1.51 0.00 0.00 37.83 33.59 2yqg s LYS 53 CO 0.00 -0.69 0.00 0.41 -0.36 0.00 0.00 175.35 174.71 2yqg n GLY 54 N 0.59 2.27 0.12 5.54 0.00 -0.39 -4.67 105.19 108.66 2yqg n GLY 54 Ca 0.04 -0.28 -0.25 0.00 0.00 0.00 0.00 46.02 45.53 2yqg n GLY 54 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2yqg n ILE 55 N 0.00 1.53 -0.04 -0.61 5.41 -1.06 -3.38 119.36 121.21 2yqg n ILE 55 Ca 0.00 -0.24 -0.22 0.00 1.00 0.00 0.00 62.75 63.30 2yqg n ILE 55 Cb 0.00 -1.97 -0.13 0.00 -0.71 0.00 0.00 39.64 36.83 2yqg n ILE 55 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 176.55 176.90 2yqg n THR 56 N -4.33 1.69 -4.09 1.39 -2.24 0.28 -4.89 114.28 102.11 2yqg n THR 56 Ca -0.44 -0.49 -0.30 0.00 -2.27 0.00 0.00 64.05 60.54 2yqg n THR 56 Cb 0.79 -1.79 -0.07 0.00 -2.10 0.00 0.00 70.33 67.16 2yqg n THR 56 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 2yqg s GLU 57 N -2.51 2.73 0.66 -0.78 8.01 -1.21 -5.05 118.70 120.55 2yqg s GLU 57 Ca -0.26 -0.78 -0.15 0.00 0.01 0.00 0.00 54.97 53.80 2yqg s GLU 57 Cb 0.07 -2.63 0.00 0.00 -4.31 0.00 0.00 34.13 27.26 2yqg s GLU 57 CO 0.70 0.55 1.11 -1.25 0.01 0.00 0.00 175.26 176.38 2yqg s PRO 58 N -2.43 2.78 0.48 0.39 0.04 -1.26 -1.27 135.00 133.73 2yqg s PRO 58 Ca 0.28 1.38 -0.22 0.00 0.04 0.00 0.00 61.00 62.48 2yqg s PRO 58 Cb -0.12 -1.95 -0.07 0.00 0.04 0.00 0.00 34.50 32.40 2yqg s PRO 58 CO 0.21 -1.27 1.15 -1.25 0.04 0.00 0.00 177.00 175.88 2yqg s PRO 59 N -4.13 3.66 0.54 0.56 0.04 -1.26 -4.64 135.00 129.77 2yqg s PRO 59 Ca 0.67 1.73 0.02 0.00 0.04 0.00 0.00 61.00 63.45 2yqg s PRO 59 Cb -0.20 -2.30 0.04 0.00 0.04 0.00 0.00 34.50 32.07 2yqg s PRO 59 CO 0.42 -0.63 0.76 -0.06 0.04 0.00 0.00 177.00 177.53 2yqg s PHE 60 N -1.61 2.78 -0.49 0.56 0.40 -1.26 -3.97 117.98 114.39 2yqg s PHE 60 Ca 0.66 -0.08 -0.02 0.00 -0.60 0.00 0.00 56.93 56.89 2yqg s PHE 60 Cb -0.27 -2.71 0.00 0.00 0.51 0.00 0.00 43.02 40.55 2yqg s PHE 60 CO 0.32 -0.86 0.42 0.41 0.70 0.00 0.00 175.22 176.21 2yqg n GLY 61 N -2.30 0.26 0.02 4.36 0.00 -1.22 -4.97 105.19 101.35 2yqg n GLY 61 Ca 0.08 -0.29 -0.03 0.00 0.00 0.00 0.00 46.02 45.78 2yqg n GLY 61 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2yqg n ILE 62 N -2.84 0.28 -4.43 -0.61 5.41 -1.25 -4.39 119.36 111.53 2yqg n ILE 62 Ca -0.05 -0.12 -0.22 0.00 1.00 0.00 0.00 62.75 63.36 2yqg n ILE 62 Cb 0.54 -0.73 -0.16 0.00 -0.71 0.00 0.00 39.64 38.58 2yqg n ILE 62 CO 0.00 0.00 0.00 -0.36 0.00 0.00 0.00 176.55 176.19 2yqg s PHE 63 N -2.10 1.07 -0.10 1.39 0.08 -1.26 -0.10 117.98 116.96 2yqg s PHE 63 Ca -0.05 -0.31 0.03 0.00 0.12 0.00 0.00 56.93 56.72 2yqg s PHE 63 Cb 0.02 -0.79 0.00 0.00 -0.57 0.00 0.00 43.02 41.68 2yqg s PHE 63 CO 0.13 -0.15 -0.21 0.14 -0.10 0.00 0.00 175.22 175.02 2yqg s VAL 64 N 0.39 1.90 0.06 -0.44 -7.23 -0.80 -4.78 120.40 109.49 2yqg s VAL 64 Ca -0.07 -0.91 0.03 0.00 -1.81 0.00 0.00 61.98 59.21 2yqg s VAL 64 Cb -0.11 -1.66 -0.03 0.00 0.56 0.00 0.00 36.38 35.14 2yqg s VAL 64 CO 0.01 0.52 -0.09 0.72 -0.31 0.00 0.00 175.10 175.96 2yqg s PHE 65 N 0.50 0.79 0.33 2.82 -0.12 -1.26 -2.31 117.98 118.73 2yqg s PHE 65 Ca -0.16 -0.57 0.03 0.00 -0.05 0.00 0.00 56.93 56.19 2yqg s PHE 65 Cb -0.17 -0.46 -0.05 0.00 -0.63 0.00 0.00 43.02 41.71 2yqg s PHE 65 CO 0.06 -0.07 0.10 -0.80 -0.05 0.00 0.00 175.22 174.46 2yqg s ASN 66 N -1.87 2.09 -0.03 1.98 0.01 -1.26 -5.00 114.94 110.86 2yqg s ASN 66 Ca -0.05 -1.49 0.08 0.00 -0.71 0.00 0.00 52.86 50.70 2yqg s ASN 66 Cb -0.07 0.21 -0.12 0.00 0.41 0.00 0.00 41.25 41.67 2yqg s ASN 66 CO -0.00 -0.77 0.15 2.29 -1.51 0.00 0.00 177.10 177.26 2yqg n LYS 67 N -0.68 0.89 0.13 -0.60 -0.00 -1.26 -3.74 118.16 112.89 2yqg n LYS 67 Ca -0.02 -0.06 -0.13 0.00 -0.00 0.00 0.00 58.31 58.10 2yqg n LYS 67 Cb 0.66 -1.20 -0.07 0.00 -0.00 0.00 0.00 35.03 34.42 2yqg n LYS 67 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.40 177.78 2yqg h ASP 68 N 0.00 -0.37 0.00 -5.58 3.04 -1.97 -3.39 116.42 108.15 2yqg h ASP 68 Ca -0.06 0.03 -0.18 0.00 -3.24 0.00 0.00 57.03 53.59 2yqg h ASP 68 Cb 0.68 0.12 -0.03 0.00 -1.04 0.00 0.00 39.33 39.06 2yqg h ASP 68 CO 0.00 -0.22 -1.60 1.07 -2.04 0.00 0.00 179.24 176.46 2yqg n THR 69 N -5.26 0.59 -0.29 1.15 5.66 -1.26 -5.12 114.28 109.74 2yqg n THR 69 Ca -0.08 -0.16 0.00 0.00 -3.05 0.00 0.00 64.05 60.76 2yqg n THR 69 Cb 0.18 -1.55 0.00 0.00 -1.55 0.00 0.00 70.33 67.41 2yqg n THR 69 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2yqg n GLY 70 N 2.41 -0.65 3.45 1.09 0.00 -1.25 -5.08 105.19 105.16 2yqg n GLY 70 Ca -0.21 -0.67 -0.14 0.00 0.00 0.00 0.00 46.02 45.00 2yqg n GLY 70 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2yqg s GLU 71 N -0.05 0.72 -0.38 1.61 -1.05 -1.26 -4.85 118.70 113.44 2yqg s GLU 71 Ca 0.00 0.59 -0.10 0.00 -0.15 0.00 0.00 54.97 55.31 2yqg s GLU 71 Cb 0.00 0.35 0.04 0.00 -0.44 0.00 0.00 34.13 34.08 2yqg s GLU 71 CO 0.00 -0.13 0.20 -1.17 0.95 0.00 0.00 175.26 175.11 2yqg s LEU 72 N -0.12 4.74 -0.18 1.83 2.96 -1.25 -4.05 118.68 122.61 2yqg s LEU 72 Ca -0.03 -1.15 -0.01 0.00 -0.22 0.00 0.00 54.13 52.72 2yqg s LEU 72 Cb -0.03 -1.98 0.00 0.00 0.50 0.00 0.00 46.19 44.68 2yqg s LEU 72 CO 0.03 -0.41 -0.13 0.21 -1.32 0.00 0.00 176.35 174.73 2yqg s ASN 73 N 1.65 3.72 -0.14 3.68 3.84 -0.98 -3.24 114.94 123.48 2yqg s ASN 73 Ca 0.01 -0.49 -0.29 0.00 0.21 0.00 0.00 52.86 52.29 2yqg s ASN 73 Cb -0.20 -1.60 -0.01 0.00 -0.55 0.00 0.00 41.25 38.89 2yqg s ASN 73 CO 0.05 0.02 1.13 0.54 -2.79 0.00 0.00 177.10 176.06 2yqg s VAL 74 N 1.18 4.48 -0.50 -5.21 0.11 -1.26 -1.91 120.40 117.29 2yqg s VAL 74 Ca 0.02 1.78 0.02 0.00 -2.93 0.00 0.00 61.98 60.87 2yqg s VAL 74 Cb -0.14 -4.15 0.45 0.00 -1.53 0.00 0.00 36.38 31.01 2yqg s VAL 74 CO -0.05 -0.08 1.63 0.35 -3.33 0.00 0.00 175.10 173.63 2yqg n THR 75 N 4.96 3.11 -3.46 5.04 -2.24 0.86 -4.83 114.28 117.71 2yqg n THR 75 Ca 0.11 -3.61 -0.11 0.00 -2.27 0.00 0.00 64.05 58.17 2yqg n THR 75 Cb 0.46 -1.16 -0.02 0.00 -2.10 0.00 0.00 70.33 67.52 2yqg n THR 75 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 2yqg s SER 76 N -2.64 -0.51 -0.74 3.42 0.15 -1.25 -4.51 113.70 107.62 2yqg s SER 76 Ca 0.58 -0.04 -0.15 0.00 0.70 0.00 0.00 55.95 57.04 2yqg s SER 76 Cb 0.46 0.57 0.19 0.00 -1.71 0.00 0.00 66.02 65.52 2yqg s SER 76 CO -0.01 -0.93 0.70 -0.63 1.20 0.00 0.00 173.24 173.57 2yqg s ILE 77 N -3.64 5.44 -0.05 6.45 1.01 -1.26 -4.69 121.20 124.47 2yqg s ILE 77 Ca 0.02 -2.11 -0.31 0.00 0.00 0.00 0.00 60.65 58.25 2yqg s ILE 77 Cb -0.01 -4.44 -0.15 0.00 0.01 0.00 0.00 42.46 37.86 2yqg s ILE 77 CO -0.11 -1.00 0.87 0.18 0.00 0.00 0.00 174.94 174.88 2yqg n LEU 78 N 4.51 0.11 -3.91 2.97 4.77 -1.26 -4.87 117.00 119.32 2yqg n LEU 78 Ca 0.05 0.89 -0.30 0.00 -0.03 0.00 0.00 56.01 56.62 2yqg n LEU 78 Cb 0.45 -0.70 -0.14 0.00 -2.33 0.00 0.00 43.42 40.70 2yqg n LEU 78 CO 0.41 -1.36 -0.23 -1.81 -1.33 0.00 0.00 177.39 173.07 2yqg s ASP 79 N 0.30 4.28 0.26 -1.43 1.01 -1.26 -4.52 116.67 115.31 2yqg s ASP 79 Ca 0.71 -2.69 -0.08 0.00 0.71 0.00 0.00 52.55 51.21 2yqg s ASP 79 Cb -0.99 -1.49 0.44 0.00 1.01 0.00 0.00 42.92 41.89 2yqg s ASP 79 CO 0.46 -0.28 1.59 0.03 0.21 0.00 0.00 175.17 177.18 2yqg h ARG 80 N 6.87 0.01 -0.95 8.23 3.08 -1.90 0.55 114.38 130.27 2yqg h ARG 80 Ca -0.06 -0.00 0.14 0.00 0.07 0.00 0.00 59.98 60.12 2yqg h ARG 80 Cb 0.93 -0.00 -0.15 0.00 0.08 0.00 0.00 29.97 30.83 2yqg h ARG 80 CO 0.60 0.01 -0.42 0.93 -1.07 0.00 0.00 179.97 180.02 2yqg h GLU 81 N 0.01 -0.02 0.00 0.04 5.08 -1.97 -2.82 114.58 114.90 2yqg h GLU 81 Ca 0.45 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.81 2yqg h GLU 81 Cb 0.74 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.99 2yqg h GLU 81 CO -0.88 -0.01 -0.15 1.49 -1.00 0.00 0.00 179.01 178.46 2yqg h GLU 82 N -0.02 0.00 -4.11 2.33 4.57 -1.35 -3.44 114.58 112.56 2yqg h GLU 82 Ca 0.30 0.00 -0.73 0.00 -1.18 0.00 0.00 59.36 57.74 2yqg h GLU 82 Cb 0.56 0.00 -0.29 0.00 -0.16 0.00 0.00 28.75 28.86 2yqg h GLU 82 CO -0.95 0.00 -0.30 0.95 -1.18 0.00 0.00 179.01 177.53 2yqg s THR 83 N -1.45 4.43 0.17 0.32 -4.23 0.17 -4.92 115.64 110.14 2yqg s THR 83 Ca -0.04 -2.02 0.29 0.00 -1.18 0.00 0.00 61.69 58.73 2yqg s THR 83 Cb 0.01 -3.88 0.31 0.00 1.34 0.00 0.00 72.50 70.28 2yqg s THR 83 CO 0.06 -0.84 1.94 1.55 -0.54 0.00 0.00 174.62 176.80 2yqg h PRO 84 N 8.20 0.00 -2.12 3.99 0.13 -1.66 -3.23 132.00 137.30 2yqg h PRO 84 Ca -0.15 0.00 0.20 0.00 -0.87 0.00 0.00 66.00 65.19 2yqg h PRO 84 Cb 1.05 0.00 -0.10 0.00 0.13 0.00 0.00 31.00 32.08 2yqg h PRO 84 CO 0.84 0.11 0.57 -0.59 -0.23 0.00 0.00 178.00 178.70 2yqg s PHE 85 N -3.74 -0.14 0.10 1.56 -0.71 -1.26 -2.81 117.98 110.98 2yqg s PHE 85 Ca 0.00 -0.09 0.05 0.00 -1.04 0.00 0.00 56.93 55.85 2yqg s PHE 85 Cb 0.10 0.60 -0.04 0.00 -1.21 0.00 0.00 43.02 42.48 2yqg s PHE 85 CO 0.58 -0.65 -0.13 -0.06 -1.34 0.00 0.00 175.22 173.62 2yqg s PHE 86 N -3.06 1.28 -0.26 3.49 0.40 -0.54 -5.02 117.98 114.27 2yqg s PHE 86 Ca 0.12 -0.55 0.01 0.00 -0.60 0.00 0.00 56.93 55.90 2yqg s PHE 86 Cb -0.00 -0.69 0.07 0.00 0.51 0.00 0.00 43.02 42.91 2yqg s PHE 86 CO -0.01 0.09 -0.01 -0.51 0.70 0.00 0.00 175.22 175.48 2yqg s LEU 87 N -2.27 2.72 0.49 -0.37 1.43 -1.26 -2.12 118.68 117.29 2yqg s LEU 87 Ca 0.05 -1.35 0.06 0.00 -1.03 0.00 0.00 54.13 51.87 2yqg s LEU 87 Cb -0.06 -1.15 0.01 0.00 0.03 0.00 0.00 46.19 45.02 2yqg s LEU 87 CO 0.02 -0.29 0.36 -0.76 0.23 0.00 0.00 176.35 175.91 2yqg s LEU 88 N 1.39 2.97 -0.25 1.79 1.43 -0.42 -3.51 118.68 122.08 2yqg s LEU 88 Ca -0.01 -1.08 -0.03 0.00 -1.03 0.00 0.00 54.13 51.98 2yqg s LEU 88 Cb -0.19 -1.47 0.13 0.00 0.03 0.00 0.00 46.19 44.70 2yqg s LEU 88 CO -0.09 -0.88 0.42 -0.89 0.23 0.00 0.00 176.35 175.14 2yqg s THR 89 N -2.66 -0.68 0.19 5.49 2.01 -1.05 -2.02 115.64 116.93 2yqg s THR 89 Ca 0.39 -0.02 -0.30 0.00 0.31 0.00 0.00 61.69 62.07 2yqg s THR 89 Cb -0.01 -0.82 -0.08 0.00 0.01 0.00 0.00 72.50 71.60 2yqg s THR 89 CO 0.23 -0.07 1.10 -0.83 -0.69 0.00 0.00 174.62 174.36 2yqg s GLY 90 N 2.61 2.86 -0.26 4.40 0.00 -1.12 -3.44 107.32 112.37 2yqg s GLY 90 Ca 0.11 0.82 0.01 0.00 0.00 0.00 0.00 44.72 45.66 2yqg s GLY 90 CO -0.16 1.64 -0.02 -0.19 0.00 0.00 0.00 173.10 174.37 2yqg s TYR 91 N -0.31 2.53 -1.27 1.90 2.02 -0.52 -3.87 117.35 117.82 2yqg s TYR 91 Ca 0.49 -1.95 -0.12 0.00 -0.37 0.00 0.00 57.07 55.12 2yqg s TYR 91 Cb -0.30 -1.80 0.15 0.00 -0.40 0.00 0.00 41.96 39.61 2yqg s TYR 91 CO 0.35 -0.82 1.73 0.00 -1.57 0.00 0.00 175.55 175.25 2yqg n ALA 92 N 4.63 4.70 -1.84 3.71 0.00 -1.26 -2.34 120.51 128.10 2yqg n ALA 92 Ca -0.08 -4.22 -0.41 0.00 0.00 0.00 0.00 53.44 48.72 2yqg n ALA 92 Cb 0.43 -3.10 -0.02 0.00 0.00 0.00 0.00 19.45 16.76 2yqg n ALA 92 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2yqg s LEU 93 N 1.01 4.37 1.19 0.00 1.43 -0.95 -4.53 118.68 121.21 2yqg s LEU 93 Ca 0.42 2.75 -0.19 0.00 -1.03 0.00 0.00 54.13 56.09 2yqg s LEU 93 Cb 0.05 -3.63 0.28 0.00 0.03 0.00 0.00 46.19 42.93 2yqg s LEU 93 CO 0.00 -0.76 1.13 -1.81 0.23 0.00 0.00 176.35 175.14 2yqg s ASP 94 N 0.38 1.01 0.46 2.29 1.11 -0.83 -2.06 116.67 119.03 2yqg s ASP 94 Ca 0.60 0.58 0.26 0.00 0.18 0.00 0.00 52.55 54.18 2yqg s ASP 94 Cb -0.44 -0.79 1.31 0.00 1.07 0.00 0.00 42.92 44.07 2yqg s ASP 94 CO 0.45 -4.06 1.79 0.00 1.18 0.00 0.00 175.17 174.53 2yqg h ALA 95 N -2.54 2.62 -0.10 5.23 0.00 -1.92 0.16 119.26 122.71 2yqg h ALA 95 Ca -0.44 0.02 -0.16 0.00 0.00 0.00 0.00 54.91 54.32 2yqg h ALA 95 Cb 1.29 0.06 0.01 0.00 0.00 0.00 0.00 17.79 19.14 2yqg h ALA 95 CO 0.33 -0.99 -0.58 0.00 0.00 0.00 0.00 179.25 178.02 2yqg h ARG 96 N 0.21 0.57 0.00 0.00 3.08 -1.90 -3.48 114.38 112.86 2yqg h ARG 96 Ca 0.57 -0.48 0.00 0.00 0.07 0.00 0.00 59.98 60.14 2yqg h ARG 96 Cb 1.82 0.10 0.00 0.00 0.08 0.00 0.00 29.97 31.97 2yqg h ARG 96 CO -0.17 1.10 0.00 0.41 -1.07 0.00 0.00 179.97 180.24 2yqg n GLY 97 N 0.74 1.30 3.01 0.04 0.00 0.57 -5.14 105.19 105.71 2yqg n GLY 97 Ca -0.08 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.73 2yqg n GLY 97 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2yqg s ASN 98 N -2.00 1.31 -1.25 1.61 0.01 -1.26 -4.82 114.94 108.55 2yqg s ASN 98 Ca 0.00 -0.20 -0.20 0.00 -0.71 0.00 0.00 52.86 51.75 2yqg s ASN 98 Cb 0.00 -0.35 0.01 0.00 0.41 0.00 0.00 41.25 41.32 2yqg s ASN 98 CO 0.00 0.07 1.81 0.54 -1.51 0.00 0.00 177.10 178.01 2yqg s ASN 99 N 0.18 6.14 0.41 -1.22 4.22 -1.26 -1.96 114.94 121.45 2yqg s ASN 99 Ca -0.03 -2.12 0.28 0.00 -2.14 0.00 0.00 52.86 48.85 2yqg s ASN 99 Cb -0.09 -2.58 0.94 0.00 1.28 0.00 0.00 41.25 40.80 2yqg s ASN 99 CO 0.01 -1.91 1.80 -0.37 -2.04 0.00 0.00 177.10 174.59 2yqg h VAL 100 N 5.84 0.00 -1.99 3.54 -1.51 -1.97 -3.45 116.25 116.71 2yqg h VAL 100 Ca 0.35 -0.57 -0.44 0.00 -1.23 0.00 0.00 66.70 64.82 2yqg h VAL 100 Cb 0.90 1.51 0.04 0.00 -2.13 0.00 0.00 31.29 31.60 2yqg h VAL 100 CO 1.37 0.00 -0.11 -1.83 -1.23 0.00 0.00 177.57 175.77 2yqg s GLU 101 N -3.39 2.58 -0.40 5.19 1.03 -1.26 -5.06 118.70 117.39 2yqg s GLU 101 Ca 0.05 -1.03 -0.24 0.00 0.03 0.00 0.00 54.97 53.79 2yqg s GLU 101 Cb 0.09 -2.59 0.02 0.00 -0.80 0.00 0.00 34.13 30.84 2yqg s GLU 101 CO 0.55 -0.60 0.81 0.15 -1.33 0.00 0.00 175.26 174.83 2yqg s LYS 102 N -4.63 3.64 0.52 -4.83 1.02 -1.26 -4.96 119.74 109.24 2yqg s LYS 102 Ca 0.57 0.19 -0.20 0.00 0.02 0.00 0.00 55.97 56.55 2yqg s LYS 102 Cb -0.10 -3.86 -0.06 0.00 -0.52 0.00 0.00 37.83 33.29 2yqg s LYS 102 CO 0.37 -0.97 1.14 -1.25 -0.92 0.00 0.00 175.35 173.72 2yqg s PRO 103 N 3.24 3.47 -0.09 -1.68 0.04 -1.26 -5.03 135.00 133.68 2yqg s PRO 103 Ca 0.32 1.65 -0.01 0.00 0.04 0.00 0.00 61.00 63.00 2yqg s PRO 103 Cb -0.12 -2.11 -0.03 0.00 0.04 0.00 0.00 34.50 32.27 2yqg s PRO 103 CO 0.20 -0.77 -0.02 -0.48 0.04 0.00 0.00 177.00 175.97 2yqg s LEU 104 N -3.59 3.46 -0.85 -3.56 2.34 -1.25 -4.98 118.68 110.24 2yqg s LEU 104 Ca 0.70 0.08 -0.08 0.00 0.06 0.00 0.00 54.13 54.90 2yqg s LEU 104 Cb -0.25 -1.79 -0.13 0.00 -0.56 0.00 0.00 46.19 43.46 2yqg s LEU 104 CO 0.29 0.36 3.17 -1.84 -1.06 0.00 0.00 176.35 177.26 2yqg n GLU 105 N 2.28 3.00 -1.37 1.48 0.28 -1.26 -2.81 120.64 122.24 2yqg n GLU 105 Ca -0.18 -1.84 -0.53 0.00 -0.16 0.00 0.00 57.16 54.44 2yqg n GLU 105 Cb 0.53 -2.41 -0.08 0.00 1.43 0.00 0.00 31.44 30.91 2yqg n GLU 105 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 177.13 176.86 2yqg n LEU 106 N 2.77 0.80 -4.78 -1.84 7.94 -0.85 -4.64 117.00 116.39 2yqg n LEU 106 Ca 0.61 0.95 -0.31 0.00 -1.11 0.00 0.00 56.01 56.15 2yqg n LEU 106 Cb 0.53 -0.71 -0.06 0.00 0.53 0.00 0.00 43.42 43.71 2yqg n LEU 106 CO 0.50 -0.83 -0.26 -0.13 -1.11 0.00 0.00 177.39 175.57 2yqg s ARG 107 N 1.98 2.91 -0.14 1.96 0.52 -1.26 -1.30 118.95 123.62 2yqg s ARG 107 Ca 0.82 -0.67 -0.03 0.00 -0.52 0.00 0.00 55.73 55.33 2yqg s ARG 107 Cb -1.17 -2.75 0.05 0.00 0.52 0.00 0.00 34.95 31.60 2yqg s ARG 107 CO 0.62 0.57 0.06 0.42 0.02 0.00 0.00 175.30 176.99 2yqg s ILE 108 N -1.39 0.15 0.17 1.52 1.01 -0.90 -3.31 121.20 118.45 2yqg s ILE 108 Ca 0.29 -0.15 -0.09 0.00 0.00 0.00 0.00 60.65 60.71 2yqg s ILE 108 Cb -0.12 -0.64 -0.06 0.00 0.01 0.00 0.00 42.46 41.64 2yqg s ILE 108 CO 0.22 -0.11 0.47 -0.75 0.00 0.00 0.00 174.94 174.76 2yqg s LYS 109 N 2.04 3.75 -0.28 2.79 2.20 -0.58 -1.47 119.74 128.19 2yqg s LYS 109 Ca 0.02 0.16 -0.07 0.00 -0.36 0.00 0.00 55.97 55.72 2yqg s LYS 109 Cb -0.15 -2.80 -0.01 0.00 -1.51 0.00 0.00 37.83 33.36 2yqg s LYS 109 CO -0.07 0.42 0.08 0.08 -0.36 0.00 0.00 175.35 175.50 2yqg s VAL 110 N -1.66 4.14 0.30 4.02 1.01 -1.13 -1.37 120.40 125.71 2yqg s VAL 110 Ca 0.42 -0.47 0.07 0.00 0.00 0.00 0.00 61.98 61.99 2yqg s VAL 110 Cb -0.12 -3.05 -0.02 0.00 0.00 0.00 0.00 36.38 33.18 2yqg s VAL 110 CO 0.21 0.18 0.35 -0.76 0.00 0.00 0.00 175.10 175.09 2yqg s LEU 111 N 1.55 3.91 0.04 3.92 1.43 0.63 -4.92 118.68 125.24 2yqg s LEU 111 Ca 0.04 -0.24 -0.15 0.00 -1.03 0.00 0.00 54.13 52.76 2yqg s LEU 111 Cb -0.16 -2.55 -0.06 0.00 0.03 0.00 0.00 46.19 43.45 2yqg s LEU 111 CO 0.03 -0.27 0.45 -1.81 0.23 0.00 0.00 176.35 174.99 2yqg s ASP 112 N -4.02 6.84 0.39 2.29 1.11 -1.26 -1.47 116.67 120.55 2yqg s ASP 112 Ca 0.39 1.01 0.11 0.00 0.18 0.00 0.00 52.55 54.25 2yqg s ASP 112 Cb -0.08 -2.27 0.91 0.00 1.07 0.00 0.00 42.92 42.55 2yqg s ASP 112 CO 0.28 0.27 1.92 -0.29 1.18 0.00 0.00 175.17 178.54 2yqg h ILE 113 N 3.45 0.88 -0.94 0.77 2.10 -1.95 -0.91 117.51 120.91 2yqg h ILE 113 Ca -0.51 -0.20 -0.64 0.00 1.08 0.00 0.00 64.86 64.60 2yqg h ILE 113 Cb 1.21 0.25 -0.32 0.00 -1.09 0.00 0.00 36.82 36.88 2yqg h ILE 113 CO 0.63 0.10 0.51 0.59 -1.08 0.00 0.00 178.15 178.91 2yqg n ASN 114 N -4.50 6.91 -4.79 2.19 5.03 -1.26 -5.00 115.26 113.84 2yqg n ASN 114 Ca 0.14 -3.78 -0.36 0.00 0.87 0.00 0.00 54.58 51.45 2yqg n ASN 114 Cb 0.41 -0.84 -0.06 0.00 -1.02 0.00 0.00 39.78 38.27 2yqg n ASN 114 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 2yqg s ASP 115 N -2.18 7.13 0.34 6.41 -1.08 -0.35 -4.97 116.67 121.97 2yqg s ASP 115 Ca 0.62 1.84 -0.16 0.00 -0.52 0.00 0.00 52.55 54.32 2yqg s ASP 115 Cb 0.49 -2.57 -0.12 0.00 -1.46 0.00 0.00 42.92 39.25 2yqg s ASP 115 CO 0.00 -0.22 0.03 -3.20 0.52 0.00 0.00 175.17 172.31 2yqg n ASN 116 N 0.16 -2.42 -4.62 -0.34 5.15 -1.26 -4.82 115.26 107.11 2yqg n ASN 116 Ca 0.04 0.62 -0.43 0.00 -0.60 0.00 0.00 54.58 54.21 2yqg n ASN 116 Cb 0.51 -0.70 -0.03 0.00 -0.53 0.00 0.00 39.78 39.03 2yqg n ASN 116 CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 2yqg s GLU 117 N -0.80 3.95 1.07 1.20 0.41 -1.26 -5.04 118.70 118.24 2yqg s GLU 117 Ca 0.47 0.76 -0.14 0.00 -0.41 0.00 0.00 54.97 55.64 2yqg s GLU 117 Cb -0.48 -3.76 0.22 0.00 -1.78 0.00 0.00 34.13 28.33 2yqg s GLU 117 CO 0.51 -0.88 1.10 -1.25 -0.49 0.00 0.00 175.26 174.25 2yqg s PRO 118 N 3.43 -0.16 -0.07 0.39 0.04 -1.26 -5.08 135.00 132.29 2yqg s PRO 118 Ca 0.40 0.32 -0.03 0.00 0.04 0.00 0.00 61.00 61.73 2yqg s PRO 118 Cb -0.12 -1.69 0.04 0.00 0.04 0.00 0.00 34.50 32.77 2yqg s PRO 118 CO 0.16 -3.09 0.14 0.08 0.04 0.00 0.00 177.00 174.34 2yqg s VAL 119 N -2.97 -0.16 -0.68 -0.36 1.01 -1.26 -5.10 120.40 110.88 2yqg s VAL 119 Ca 0.67 0.28 0.02 0.00 0.00 0.00 0.00 61.98 62.96 2yqg s VAL 119 Cb -0.16 -0.26 0.17 0.00 0.00 0.00 0.00 36.38 36.13 2yqg s VAL 119 CO 0.57 0.12 0.48 0.12 0.00 0.00 0.00 175.10 176.39 2yqg s PHE 120 N 1.79 3.51 -1.79 5.22 5.36 -1.26 -4.86 117.98 125.94 2yqg s PHE 120 Ca -0.02 -3.16 0.26 0.00 -0.96 0.00 0.00 56.93 53.05 2yqg s PHE 120 Cb -0.12 -2.91 0.69 0.00 -0.34 0.00 0.00 43.02 40.35 2yqg s PHE 120 CO -0.06 -0.67 1.53 0.25 -1.46 0.00 0.00 175.22 174.81 2yqg n THR 121 N 2.53 0.00 -3.65 0.12 -2.24 -1.26 -4.97 114.28 104.81 2yqg n THR 121 Ca 0.15 -0.14 0.01 0.00 -2.27 0.00 0.00 64.05 61.79 2yqg n THR 121 Cb 0.35 0.48 -0.00 0.00 -2.10 0.00 0.00 70.33 69.05 2yqg n THR 121 CO 0.00 0.00 0.00 -1.58 -0.57 0.00 0.00 175.07 172.92 2yqg s GLN 122 N -2.49 0.49 0.00 -0.78 0.74 -1.26 -5.40 119.66 110.97 2yqg s GLN 122 Ca 0.24 -0.28 0.00 0.00 0.05 0.00 0.00 55.36 55.37 2yqg s GLN 122 Cb 0.19 0.17 0.00 0.00 1.10 0.00 0.00 33.01 34.47 2yqg s GLN 122 CO 0.52 -0.23 0.21 -0.25 -0.55 0.00 0.00 175.29 174.99